Mol:FLIAAINF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9487 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9487 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 1.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 1.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8326 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8326 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8326 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8326 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4274 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4274 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0222 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0222 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0222 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0222 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4274 0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4274 0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5596 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5596 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9372 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9372 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.5596 0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5596 0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5793 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5793 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9003 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9003 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9003 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9003 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6164 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6164 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2585 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2585 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9003 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9003 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2585 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2585 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9003 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9003 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9003 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9003 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6164 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6164 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4825 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4825 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0101 -1.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0101 -1.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7245 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7245 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 13 33 1 0 0 0 0 | + | 13 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 1.0101 -1.0356 | + | M SVB 2 36 1.0101 -1.0356 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 2.6164 0.5091 | + | M SVB 1 34 2.6164 0.5091 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAINF0001 | + | ID FLIAAINF0001 |
| − | KNApSAcK_ID C00009895 | + | KNApSAcK_ID C00009895 |
| − | NAME Pumilaisoflavone B | + | NAME Pumilaisoflavone B |
| − | CAS_RN 115712-90-8 | + | CAS_RN 115712-90-8 |
| − | FORMULA C27H28O7 | + | FORMULA C27H28O7 |
| − | EXACTMASS 464.18350325 | + | EXACTMASS 464.18350325 |
| − | AVERAGEMASS 464.50702 | + | AVERAGEMASS 464.50702 |
| − | SMILES C(=C3)(c(c4)cc(OC)c(c(OC)4)OC(C)(C)C=C)C(c(c1O)c(O3)cc(O2)c1CC2C(C)=C)=O | + | SMILES C(=C3)(c(c4)cc(OC)c(c(OC)4)OC(C)(C)C=C)C(c(c1O)c(O3)cc(O2)c1CC2C(C)=C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.9487 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 1.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0222 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0222 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5596 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9372 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.5596 0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5793 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9003 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9003 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2585 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9003 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2585 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9003 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9003 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4825 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -1.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7245 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
27 30 2 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
13 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 1.0101 -1.0356
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 2.6164 0.5091
S SKP 8
ID FLIAAINF0001
KNApSAcK_ID C00009895
NAME Pumilaisoflavone B
CAS_RN 115712-90-8
FORMULA C27H28O7
EXACTMASS 464.18350325
AVERAGEMASS 464.50702
SMILES C(=C3)(c(c4)cc(OC)c(c(OC)4)OC(C)(C)C=C)C(c(c1O)c(O3)cc(O2)c1CC2C(C)=C)=O
M END
